2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde

C8H5BrClF2NO — CID 118804599

IUPAC2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(Cl)nc1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-2-6-4(3-14)1-5(8(11)12)7(10)13-6/h1,3,8H,2H2
InChIKeyYZXKBXRADYATBY-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.38
Rot. Bonds3

About 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde

2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118804599) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID118804599
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(C(F)F)c(Cl)nc1CBr
InChIInChI=1S/C8H5BrClF2NO/c9-2-6-4(3-14)1-5(8(11)12)7(10)13-6/h1,3,8H,2H2
InChIKeyYZXKBXRADYATBY-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118844032
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130081877
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084830

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 118804599) is 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1cc(C(F)F)c(Cl)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is YZXKBXRADYATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c9-2-6-4(3-14)1-5(8(11)12)7(10)13-6/h1,3,8H,2H2.
What are the key properties of 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde?
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 284.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118804599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).